0 mol 14 unq 0 iso 0 dist 4.78509 6.14055 8.05352 8.25853 8.5032 4.4401 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 4.78509 8.25853 8.5032 6.14055 8.05352 4.4401 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 9.62429 5.04916 8.05352 8.02595 8.5032 4.4401 numMergedOcc 0
3 mol 14 unq 1 iso 1 dist 9.62429 8.02595 8.5032 5.04916 8.05352 4.4401 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.09309 7.17655 5.87633 5.80563 7.09381 9.40652 numMergedOcc 0
5 mol 28 unq 0 iso 1 dist 6.09309 5.80563 7.09381 7.17655 5.87633 9.40652 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 7.32584 4.71641 9.05939 7.5586 9.38747 5.89728 numMergedOcc 0
7 mol 28 unq 1 iso 1 dist 7.32584 7.5586 9.38747 4.71641 9.05939 5.89728 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 7.34695 9.34149 6.29755 13.5048 7.4038 5.58256 numMergedOcc 0
9 mol 54 unq 0 iso 1 dist 7.34695 13.5048 7.4038 9.34149 6.29755 5.58256 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 7.55911 13.3825 9.39801 6.06914 4.82346 9.73996 numMergedOcc 0
11 mol 99 unq 0 iso 1 dist 7.55911 6.06914 4.82346 13.3825 9.39801 9.73996 numMergedOcc 0
12 mol 99 unq 1 iso 0 dist 7.55911 13.3825 9.39801 6.72932 8.89165 10.6378 numMergedOcc 0
13 mol 99 unq 1 iso 1 dist 7.55911 6.72932 8.89165 13.3825 9.39801 10.6378 numMergedOcc 0
14 mol 99 unq 1 iso 0 dist 7.55911 6.06914 4.82346 6.72932 8.89165 4.41001 numMergedOcc 0
15 mol 99 unq 1 iso 1 dist 7.55911 6.72932 8.89165 6.06914 4.82346 4.41001 numMergedOcc 0
16 mol 165 unq 0 iso 0 dist 7.29604 8.4352 7.8052 9.88989 8.20329 4.94677 numMergedOcc 0
17 mol 165 unq 0 iso 1 dist 7.29604 9.88989 8.20329 8.4352 7.8052 4.94677 numMergedOcc 0
18 mol 165 unq 1 iso 0 dist 9.21329 5.73847 7.8052 8.51209 8.20329 4.94677 numMergedOcc 0
19 mol 165 unq 1 iso 1 dist 9.21329 8.51209 8.20329 5.73847 7.8052 4.94677 numMergedOcc 0
20 mol 174 unq 0 iso 0 dist 9.68098 6.76607 9.56869 7.07926 7.37131 5.33032 numMergedOcc 0
21 mol 174 unq 0 iso 1 dist 9.68098 7.07926 7.37131 6.76607 9.56869 5.33032 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 8.95183 6.48083 9.57625 6.54824 8.08702 11.0459 numMergedOcc 0
23 mol 220 unq 0 iso 1 dist 8.95183 6.54824 8.08702 6.48083 9.57625 11.0459 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 7.81701 5.1491 8.30313 5.13 6.51248 5.72971 numMergedOcc 0
25 mol 282 unq 0 iso 1 dist 7.81701 5.13 6.51248 5.1491 8.30313 5.72971 numMergedOcc 0
26 mol 282 unq 1 iso 0 dist 9.46797 9.68952 8.30313 9.51582 6.51248 5.72971 numMergedOcc 0
27 mol 282 unq 1 iso 1 dist 9.46797 9.51582 6.51248 9.68952 8.30313 5.72971 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 9.13071 6.64598 9.30394 13.4002 8.5458 8.60638 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 9.13071 13.4002 8.5458 6.64598 9.30394 8.60638 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 9.13071 6.64598 9.30394 16.0855 8.47385 12.7579 numMergedOcc 0
31 mol 287 unq 1 iso 1 dist 9.13071 16.0855 8.47385 6.64598 9.30394 12.7579 numMergedOcc 0
32 mol 287 unq 2 iso 0 dist 9.13071 6.64598 9.30394 17.1463 8.44356 17.1913 numMergedOcc 0
33 mol 287 unq 2 iso 1 dist 9.13071 17.1463 8.44356 6.64598 9.30394 17.1913 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 9.13071 13.4002 8.5458 16.0855 8.47385 4.9954 numMergedOcc 0
35 mol 287 unq 1 iso 1 dist 9.13071 16.0855 8.47385 13.4002 8.5458 4.9954 numMergedOcc 0
36 mol 287 unq 2 iso 0 dist 9.13071 13.4002 8.5458 17.1463 8.44356 12.5806 numMergedOcc 0
37 mol 287 unq 2 iso 1 dist 9.13071 17.1463 8.44356 13.4002 8.5458 12.5806 numMergedOcc 0
38 mol 287 unq 2 iso 0 dist 9.13071 16.0855 8.47385 17.1463 8.44356 8.72516 numMergedOcc 0
39 mol 287 unq 2 iso 1 dist 9.13071 17.1463 8.44356 16.0855 8.47385 8.72516 numMergedOcc 0
40 mol 287 unq 3 iso 0 dist 8.19596 6.64598 5.84467 13.4002 8.56533 8.60638 numMergedOcc 0
41 mol 287 unq 3 iso 1 dist 8.19596 13.4002 8.56533 6.64598 5.84467 8.60638 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 9.13071 6.64598 9.30394 13.4002 8.5458 8.60638 numMergedOcc 0
43 mol 288 unq 0 iso 1 dist 9.13071 13.4002 8.5458 6.64598 9.30394 8.60638 numMergedOcc 0
44 mol 288 unq 1 iso 0 dist 9.13071 6.64598 9.30394 16.0855 8.47385 12.7579 numMergedOcc 0
45 mol 288 unq 1 iso 1 dist 9.13071 16.0855 8.47385 6.64598 9.30394 12.7579 numMergedOcc 0
46 mol 288 unq 2 iso 0 dist 9.13071 6.64598 9.30394 17.1463 8.44356 17.1913 numMergedOcc 0
47 mol 288 unq 2 iso 1 dist 9.13071 17.1463 8.44356 6.64598 9.30394 17.1913 numMergedOcc 0
48 mol 288 unq 1 iso 0 dist 9.13071 13.4002 8.5458 16.0855 8.47385 4.9954 numMergedOcc 0
49 mol 288 unq 1 iso 1 dist 9.13071 16.0855 8.47385 13.4002 8.5458 4.9954 numMergedOcc 0
50 mol 288 unq 2 iso 0 dist 9.13071 13.4002 8.5458 17.1463 8.44356 12.5806 numMergedOcc 0
51 mol 288 unq 2 iso 1 dist 9.13071 17.1463 8.44356 13.4002 8.5458 12.5806 numMergedOcc 0
52 mol 288 unq 2 iso 0 dist 9.13071 16.0855 8.47385 17.1463 8.44356 8.72516 numMergedOcc 0
53 mol 288 unq 2 iso 1 dist 9.13071 17.1463 8.44356 16.0855 8.47385 8.72516 numMergedOcc 0
54 mol 288 unq 3 iso 0 dist 8.19596 6.64598 5.84467 13.4002 8.56533 8.60638 numMergedOcc 0
55 mol 288 unq 3 iso 1 dist 8.19596 13.4002 8.56533 6.64598 5.84467 8.60638 numMergedOcc 0
56 mol 289 unq 0 iso 0 dist 9.13071 6.64598 9.30394 13.4002 8.5458 8.60638 numMergedOcc 0
57 mol 289 unq 0 iso 1 dist 9.13071 13.4002 8.5458 6.64598 9.30394 8.60638 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 9.13071 6.64598 9.30394 16.0855 8.47385 12.7579 numMergedOcc 0
59 mol 289 unq 1 iso 1 dist 9.13071 16.0855 8.47385 6.64598 9.30394 12.7579 numMergedOcc 0
60 mol 289 unq 2 iso 0 dist 9.13071 6.64598 9.30394 17.1463 8.44356 17.1913 numMergedOcc 0
61 mol 289 unq 2 iso 1 dist 9.13071 17.1463 8.44356 6.64598 9.30394 17.1913 numMergedOcc 0
62 mol 289 unq 1 iso 0 dist 9.13071 13.4002 8.5458 16.0855 8.47385 4.9954 numMergedOcc 0
63 mol 289 unq 1 iso 1 dist 9.13071 16.0855 8.47385 13.4002 8.5458 4.9954 numMergedOcc 0
64 mol 289 unq 2 iso 0 dist 9.13071 13.4002 8.5458 17.1463 8.44356 12.5806 numMergedOcc 0
65 mol 289 unq 2 iso 1 dist 9.13071 17.1463 8.44356 13.4002 8.5458 12.5806 numMergedOcc 0
66 mol 289 unq 2 iso 0 dist 9.13071 16.0855 8.47385 17.1463 8.44356 8.72516 numMergedOcc 0
67 mol 289 unq 2 iso 1 dist 9.13071 17.1463 8.44356 16.0855 8.47385 8.72516 numMergedOcc 0
68 mol 289 unq 3 iso 0 dist 8.19596 6.64598 5.84467 13.4002 8.56533 8.60638 numMergedOcc 0
69 mol 289 unq 3 iso 1 dist 8.19596 13.4002 8.56533 6.64598 5.84467 8.60638 numMergedOcc 0
